Hello Charles, Thank you very much for your answers.
>> 2. How does the XPLOR-NIH handle the distance restraints of those methyl >> (HG2* >> etc.), methylene (HB* etc) as well as aromatic protons (HE* etc) where there >> is >> only one observed chemical shift? Does it create a pseudoatom with averaged >> coordinates? If so, should I increase the upper bound of these restraints to >> make sure that the distances will be valid for the real atoms as >> well? >There is usually no pseudo-atom when dealing with methyls- usually >1/r^6 sum averaging is used, but the upper bounds may be increased by >0.5 Angstrom for methyls only. What is the situation with the side-chain methylene and especially with the aromatic protons (HE*, HD* of Phe and Tyr)? Do I need to do the same? Best regards, Andras ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
